| SpectraBase Compound ID | GmqlYRY7Nyh |
|---|---|
| InChI | InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21+/m1/s1 |
| InChIKey | CAIGUMKGQLGFBR-USUZYHNNSA-N |
| Mol Weight | 432.38 g/mol |
| Molecular Formula | C21H20O10 |
| Exact Mass | 432.105647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT3gcCD4nlo |
|---|---|
| Name | 2-FERULOYL-PISCIDIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H20O10 |
| InChI | InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21+/m1/s1 |
| InChIKey | CAIGUMKGQLGFBR-USUZYHNNSA-N |
| Literature Reference Author | M.TAKAHIRA,A.KUSANO,M.SHIBANO,G.KUSANO,T.MIYASE |
| Literature Reference Citation | PHYTOCHEM.,49,2115(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00407-5 |
| Molecular Weight | 432.384 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU859 |